In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 18 | Yes |
Popular Name: (2S)-2-(4-ethyl-1-piperidyl)-1-piperazin-1-yl-propan-1-one (2S)-2-(4-ethyl-1-piperidyl)-1-p…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.15 | 4.96 | -34.45 | 2 | 4 | 1 | 37 | 254.398 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.15 | 2.85 | -7.69 | 1 | 4 | 0 | 36 | 253.39 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.15 | 6.23 | -96.64 | 3 | 4 | 2 | 41 | 255.406 | 3 | ↓ |